甲基硝基胍-硝酸肼低共熔物结构及分子间作用  

Structure and Molecular Interaction of Methyl-nitroguanidine and Hydrazine Nitrate Eutectics

作　　者：陈玲[1] 李华荣[1] 熊鹰[1] 徐瑞娟[1] 徐涛[1] 刘晓峰[1] 舒远杰[1] 

机构地区：[1]中国工程物理研究院化工材料研究所,四川绵阳621900

出　　处：《含能材料》2012年第5期560-564,共5页Chinese Journal of Energetic Materials

基　　金：国家自然科学基金-中国工程物理研究院联合基金资助(批准号:11076002)

摘　　要：通过差示扫描量热仪、光学显微镜、X-射线衍射仪以及密度泛函理论研究了不同摩尔比的甲基硝基胍与硝酸肼二元低共熔物的熔点、冷却结晶形貌、晶体结构和分子间相互作用。研究发现甲基硝基胍与硝酸肼的摩尔比为32时制得的共熔物熔点最低,为67.06℃,冷却凝固后出现了既不同于硝酸肼也不同于甲基硝基胍的棒状结晶,且此配比下的共熔物形貌较均匀。量子化学计算结果表明甲基硝基胍与硝酸肼低共熔物不是简单的机械混合物,分子间存在相互作用力。The melt point, crystal shape, structures and interaction of different mole contents of methyl-nitroguanidine and hydrazine nitrate were tested by differential scanning calorimeter（DSC）, optical microscope, X-ray diffraction（XRD） and density functional theory respectively. The experimental results show that the lowest melt point is 67.06 ℃, the most stable configuration, the stick crystallization shape which is different from methyl-nitroguanidine and hydrazine nitrate appear at mol ratio of 32, and the structure is uniformity compared with other mol ratio eutectics. Calculation results of quantum chemistry show that the eutectic is not a simply mechanical mixtures, but to be formed by some sort of loose molecular or atomic interaction which can agree well with the result of enthalpy of fusion.

关 键 词：物理化学 甲基硝基胍 低共熔物 结晶 

分 类 号：TQ564[化学工程—炸药化工]